3-propan-2-ylcyclobutan-1-amine;hydrochloride

C7H16ClN — CID 138987895

IUPAC3-propan-2-ylcyclobutan-1-amine;hydrochloride
SMILESCC(C)C1CC(N)C1.Cl
InChIInChI=1S/C7H15N.ClH/c1-5(2)6-3-7(8)4-6;/h5-7H,3-4,8H2,1-2H3;1H
InChIKeyHHRMVGODMRBXBN-UHFFFAOYSA-N
MW149.66 g/mol
LogP1.80
Rot. Bonds1

About 3-propan-2-ylcyclobutan-1-amine;hydrochloride

3-propan-2-ylcyclobutan-1-amine;hydrochloride (PubChem CID 138987895) has the molecular formula C7H16ClN and a molecular weight of 149.66 g/mol. Its IUPAC name is 3-propan-2-ylcyclobutan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-propan-2-ylcyclobutan-1-amine;hydrochloride
PubChem CID138987895
Molecular FormulaC7H16ClN
Molecular Weight149.66 g/mol
Exact Mass149.10
IUPAC Name3-propan-2-ylcyclobutan-1-amine;hydrochloride
SMILESCC(C)C1CC(N)C1.Cl
InChIInChI=1S/C7H15N.ClH/c1-5(2)6-3-7(8)4-6;/h5-7H,3-4,8H2,1-2H3;1H
InChIKeyHHRMVGODMRBXBN-UHFFFAOYSA-N
XLogP1.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.66
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-ylcyclobutan-1-amine;hydrochloride?
The IUPAC name of 3-propan-2-ylcyclobutan-1-amine;hydrochloride (CID 138987895) is 3-propan-2-ylcyclobutan-1-amine;hydrochloride.
What is the SMILES notation for 3-propan-2-ylcyclobutan-1-amine;hydrochloride?
The canonical SMILES for 3-propan-2-ylcyclobutan-1-amine;hydrochloride is CC(C)C1CC(N)C1.Cl.
What is the InChIKey of 3-propan-2-ylcyclobutan-1-amine;hydrochloride?
The InChIKey is HHRMVGODMRBXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N.ClH/c1-5(2)6-3-7(8)4-6;/h5-7H,3-4,8H2,1-2H3;1H.
What are the key properties of 3-propan-2-ylcyclobutan-1-amine;hydrochloride?
3-propan-2-ylcyclobutan-1-amine;hydrochloride has a molecular weight of 149.66 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-ylcyclobutan-1-amine;hydrochloride is sourced from PubChem (CID 138987895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).